6S6F

Crystal structure of 2-methylcitrate synthase (PrpC) from Pseudomonas aeruginosa in apo form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	51.014, 83.195, 82.713
Unit cell angles	90.00, 101.93, 90.00

Refinement procedure

Resolution	57.990 - 1.530
R-factor	0.1962
Rwork	0.196
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tqg
RMSD bond length	0.016
RMSD bond angle	1.468
Data reduction software	DIALS
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.990	57.990	1.570
High resolution limit [Å]	1.530	6.840	1.530
Rmerge	0.056	0.045	0.936
Rmeas	0.067	0.054	1.128
Rpim	0.036	0.029	0.622
Number of reflections	101668	1196	7484
<I/σ(I)>	8.9		1.2
Completeness [%]	99.9	99.9	99.8
Redundancy	3.2	3.2	3.1
CC(1/2)	0.998	0.994	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	100 mM Bis-Tris pH 5.5, 15-25% PEG3350, 40 mM D-Xylose